(2S,3R,8R,13S,14R,19R)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,13,21,24,26-hexol
| Internal ID | 68faf989-b315-434e-ad98-7be41b3445b9 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | (2S,3R,8R,13S,14R,19R)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,13,21,24,26-hexol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H56O6/c1-5-7-15-25-17-11-9-13-23(3)36(42)28-21-31(39)34(32(40)22-28)26(16-8-6-2)18-12-10-14-24(4)35(41)27-19-29(37)33(25)30(38)20-27/h19-26,35-42H,5-18H2,1-4H3/t23-,24-,25-,26-,35+,36+/m1/s1 |
| InChI Key | JCKOOZUMKBNWSJ-ZLCROBAWSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C36H56O6 |
| Molecular Weight | 584.80 g/mol |
| Exact Mass | 584.40768950 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 10.20 |
| CHEBI:219813 |
| (2S,3R,8R,13S,14R,19R)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,13,21,24,26-hexol |
![2D Structure of (2S,3R,8R,13S,14R,19R)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,13,21,24,26-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/4bc9c480-8607-11ee-8433-a16351b12cc7.jpg "2D Structure of (2S,3R,8R,13S,14R,19R)-8,19-dibutyl-3,14-dimethyltricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene-2,10,13,21,24,26-hexol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.13% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.69% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.76% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.67% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.63% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.89% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.64% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.38% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.14% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.95% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.63% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.51% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.31% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 44245032 |
| LOTUS | LTS0133034 |
| wikiData | Q105124896 |